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Information card for entry 7157313
Preview
| Coordinates | 7157313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H4 F8 N2 O |
|---|---|
| Calculated formula | C12 H4 F8 N2 O |
| Title of publication | Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives. |
| Authors of publication | Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1185 - 1193 |
| a | 14.0204 ± 0.001 Å |
| b | 7.9073 ± 0.0005 Å |
| c | 22.6326 ± 0.0016 Å |
| α | 90° |
| β | 103.22 ± 0.007° |
| γ | 90° |
| Cell volume | 2442.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157313.cif |
| 249039 | 2020-03-05 | cif/ Updating files of 7157313, 7157314 Original log message: Adding full bibliography for 7157313--7157314.cif. |
7157313.cif |
| 246944 | 2020-01-17 | cif/ Adding structures of 7157313, 7157314 via cif-deposit CGI script. |
7157313.cif |
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Users of the data should acknowledge the original authors of the
structural data.